#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ka8 h ALA 2 N 0.00 0.64 -5.55 -1.67 0.00 -2.08 -3.49 119.26 107.10 1ka8 h ALA 2 Ca 0.00 -1.20 -0.28 0.00 0.00 0.00 0.00 54.91 53.43 1ka8 h ALA 2 Cb 0.00 0.25 0.18 0.00 0.00 0.00 0.00 17.79 18.23 1ka8 h ALA 2 CO 0.00 1.38 -0.85 -3.47 0.00 0.00 0.00 179.25 176.31 1ka8 n ASP 3 N -3.13 -5.57 -0.22 0.00 2.03 -1.26 -4.85 116.55 103.55 1ka8 n ASP 3 Ca -0.10 -0.71 -0.02 0.00 0.52 0.00 0.00 54.79 54.47 1ka8 n ASP 3 Cb 0.98 -5.07 0.09 0.00 -0.72 0.00 0.00 41.12 36.41 1ka8 n ASP 3 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ka8 h PRO 4 N -1.30 0.61 -0.83 -0.67 0.13 -1.99 -1.97 132.00 125.99 1ka8 h PRO 4 Ca -0.61 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 64.53 1ka8 h PRO 4 Cb 1.32 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1ka8 h PRO 4 CO 0.46 0.41 0.54 1.79 -0.23 0.00 0.00 178.00 180.97 1ka8 h THR 5 N 0.63 1.10 -0.58 1.56 1.35 -1.99 -0.07 112.91 114.92 1ka8 h THR 5 Ca 0.29 -0.34 -0.05 0.00 -0.55 0.00 0.00 66.41 65.76 1ka8 h THR 5 Cb 0.20 0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 66.63 1ka8 h THR 5 CO -0.19 0.18 0.17 0.15 -0.25 0.00 0.00 175.52 175.59 1ka8 h PHE 6 N 0.98 0.93 -0.59 4.73 3.57 -1.74 -2.26 116.94 122.57 1ka8 h PHE 6 Ca 0.34 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1ka8 h PHE 6 Cb 0.10 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1ka8 h PHE 6 CO -0.00 0.78 0.39 -0.44 -2.23 0.00 0.00 178.31 176.81 1ka8 h ASP 7 N 0.81 0.68 -0.52 0.41 3.32 -0.83 -2.47 116.42 117.81 1ka8 h ASP 7 Ca 0.19 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.27 1ka8 h ASP 7 Cb 0.29 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 1ka8 h ASP 7 CO -0.00 0.49 0.24 0.15 -1.72 0.00 0.00 179.24 178.40 1ka8 h PHE 8 N 0.80 0.43 0.00 4.55 3.57 -0.83 0.23 116.94 125.70 1ka8 h PHE 8 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1ka8 h PHE 8 Cb -0.09 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1ka8 h PHE 8 CO -0.03 0.19 0.00 -0.89 -2.23 0.00 0.00 178.31 175.34 1ka8 n ILE 9 N -4.92 1.52 0.23 1.41 5.41 -0.87 -0.49 119.36 121.64 1ka8 n ILE 9 Ca 0.05 0.45 0.11 0.00 1.00 0.00 0.00 62.75 64.37 1ka8 n ILE 9 Cb 0.17 -1.38 0.43 0.00 -0.71 0.00 0.00 39.64 38.15 1ka8 n ILE 9 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1ka8 h GLY 10 N 0.82 0.00 -1.56 7.39 0.00 -0.31 -2.84 103.07 106.56 1ka8 h GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ka8 h GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1ka8 n TYR 11 N -3.25 0.62 -4.41 5.60 4.02 0.36 -4.91 117.16 115.19 1ka8 n TYR 11 Ca 0.01 -0.27 -0.32 0.00 -0.01 0.00 0.00 57.90 57.31 1ka8 n TYR 11 Cb 0.44 -0.09 -0.10 0.00 -0.02 0.00 0.00 39.34 39.58 1ka8 n TYR 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ka8 s LEU 12 N -1.09 3.21 0.11 7.72 1.43 -1.08 -0.50 118.68 128.49 1ka8 s LEU 12 Ca 0.24 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.26 1ka8 s LEU 12 Cb 0.14 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1ka8 s LEU 12 CO 0.14 0.27 -0.16 -1.83 0.23 0.00 0.00 176.35 175.00 1ka8 s GLU 13 N -1.52 1.03 0.14 1.70 -1.05 0.55 -4.85 118.70 114.71 1ka8 s GLU 13 Ca 0.18 -1.18 -0.10 0.00 -0.15 0.00 0.00 54.97 53.71 1ka8 s GLU 13 Cb -0.11 -1.03 -0.06 0.00 -0.44 0.00 0.00 34.13 32.48 1ka8 s GLU 13 CO 0.09 0.22 0.48 0.99 0.95 0.00 0.00 175.26 177.98 1ka8 s THR 14 N -1.76 5.00 0.19 1.83 2.01 -1.26 -0.54 115.64 121.11 1ka8 s THR 14 Ca 0.07 0.51 0.06 0.00 0.31 0.00 0.00 61.69 62.64 1ka8 s THR 14 Cb -0.07 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1ka8 s THR 14 CO 0.04 0.15 0.09 -0.76 -0.69 0.00 0.00 174.62 173.45 1ka8 s LEU 15 N -2.25 3.60 0.63 4.42 1.43 0.32 -4.90 118.68 121.93 1ka8 s LEU 15 Ca 0.39 -0.28 0.31 0.00 -1.03 0.00 0.00 54.13 53.53 1ka8 s LEU 15 Cb -0.13 -2.20 1.71 0.00 0.03 0.00 0.00 46.19 45.60 1ka8 s LEU 15 CO 0.20 0.05 1.96 -0.65 0.23 0.00 0.00 176.35 178.14 1ka8 h PRO 16 N 2.31 0.00 -2.04 1.29 0.11 -2.00 -3.42 132.00 128.25 1ka8 h PRO 16 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1ka8 h PRO 16 Cb 1.21 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.13 1ka8 h PRO 16 CO 0.61 0.00 0.17 1.14 -0.21 0.00 0.00 178.00 179.71 1ka8 s GLN 17 N -4.04 1.04 -0.18 1.05 0.00 -1.26 -5.07 119.66 111.21 1ka8 s GLN 17 Ca -0.03 0.25 -0.26 0.00 -0.00 0.00 0.00 55.36 55.31 1ka8 s GLN 17 Cb 0.09 0.49 -0.30 0.00 0.00 0.00 0.00 33.01 33.29 1ka8 s GLN 17 CO 0.29 -0.32 1.53 0.25 0.00 0.00 0.00 175.29 177.03 1ka8 n THR 18 N 0.94 0.00 -0.79 3.63 -2.24 -1.26 -4.17 114.28 110.39 1ka8 n THR 18 Ca -0.19 -0.07 0.01 0.00 -2.27 0.00 0.00 64.05 61.53 1ka8 n THR 18 Cb 0.57 -1.71 0.02 0.00 -2.10 0.00 0.00 70.33 67.11 1ka8 n THR 18 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ka8 n SER 19 N 10.03 0.99 -0.50 3.42 3.41 -1.06 -4.76 113.62 125.16 1ka8 n SER 19 Ca 0.39 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1ka8 n SER 19 Cb 0.41 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1ka8 n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ka8 n GLY 20 N -0.35 1.08 3.70 5.00 0.00 0.11 -4.99 105.19 109.74 1ka8 n GLY 20 Ca 0.02 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 1ka8 n GLY 20 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ka8 s MET 21 N 0.89 1.35 -0.10 1.61 -1.94 0.42 -4.48 119.30 117.05 1ka8 s MET 21 Ca 0.00 1.24 -0.04 0.00 -1.71 0.00 0.00 55.69 55.18 1ka8 s MET 21 Cb 0.00 -1.79 -0.04 0.00 2.01 0.00 0.00 34.83 35.02 1ka8 s MET 21 CO 0.00 -2.30 0.07 0.71 -0.01 0.00 0.00 175.02 173.48 1ka8 s TYR 22 N -2.77 3.36 -1.32 -0.03 1.51 -0.20 0.58 117.35 118.48 1ka8 s TYR 22 Ca 0.64 0.34 -0.17 0.00 -1.01 0.00 0.00 57.07 56.88 1ka8 s TYR 22 Cb -0.20 -1.86 0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1ka8 s TYR 22 CO 0.58 0.59 1.96 -0.12 -1.11 0.00 0.00 175.55 177.44 1ka8 n MET 23 N 2.09 2.84 0.00 -0.62 0.00 -0.65 0.26 117.12 121.04 1ka8 n MET 23 Ca -0.19 -2.87 0.00 0.00 -0.00 0.00 0.00 57.70 54.64 1ka8 n MET 23 Cb 0.54 -3.40 0.00 0.00 0.00 0.00 0.00 33.22 30.36 1ka8 n MET 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ka8 n GLY 24 N 4.87 -1.71 3.62 -5.12 0.00 -1.26 -4.80 105.19 100.78 1ka8 n GLY 24 Ca 0.50 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1ka8 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ka8 s ASN 25 N -2.47 -0.38 0.56 1.61 4.22 -1.26 -4.79 114.94 112.44 1ka8 s ASN 25 Ca 0.00 -0.25 0.26 0.00 -2.14 0.00 0.00 52.86 50.73 1ka8 s ASN 25 Cb 0.00 0.58 1.53 0.00 1.28 0.00 0.00 41.25 44.64 1ka8 s ASN 25 CO 0.00 -1.01 2.07 0.00 -2.04 0.00 0.00 177.10 176.12 1ka8 h ALA 26 N 2.00 2.03 -0.16 3.54 0.00 -1.97 -2.93 119.26 121.77 1ka8 h ALA 26 Ca -0.26 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1ka8 h ALA 26 Cb 1.27 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ka8 h ALA 26 CO 0.30 -0.37 -0.10 0.77 0.00 0.00 0.00 179.25 179.86 1ka8 h SER 27 N 0.00 0.36 -0.90 0.00 0.02 -2.04 -3.43 113.55 107.57 1ka8 h SER 27 Ca 0.12 -0.43 -0.70 0.00 -0.84 0.00 0.00 61.79 59.94 1ka8 h SER 27 Cb 0.59 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1ka8 h SER 27 CO -0.00 0.72 1.36 -0.38 -1.14 0.00 0.00 176.83 177.39 1ka8 n ILE 28 N -4.60 0.16 0.00 3.27 5.41 -1.11 -4.89 119.36 117.60 1ka8 n ILE 28 Ca -0.06 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1ka8 n ILE 28 Cb 0.32 -1.38 0.00 0.00 -0.71 0.00 0.00 39.64 37.88 1ka8 n ILE 28 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1ka8 n ILE 29 N 6.86 0.00 -1.00 1.39 2.08 -1.26 -4.44 119.36 122.99 1ka8 n ILE 29 Ca 0.43 0.09 -0.34 0.00 0.56 0.00 0.00 62.75 63.49 1ka8 n ILE 29 Cb 0.17 -0.46 -0.10 0.00 -0.75 0.00 0.00 39.64 38.50 1ka8 n ILE 29 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1ka8 n PRO 30 N 0.00 0.00 -1.42 0.38 -0.02 -1.26 -4.66 135.00 128.02 1ka8 n PRO 30 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 1ka8 n PRO 30 Cb 0.00 -1.07 0.09 0.00 -0.02 0.00 0.00 33.50 32.50 1ka8 n PRO 30 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ka8 s ARG 31 N 5.62 2.13 -0.36 -0.52 1.81 -1.26 -4.99 118.95 121.37 1ka8 s ARG 31 Ca 0.93 1.74 0.01 0.00 -1.72 0.00 0.00 55.73 56.69 1ka8 s ARG 31 Cb -0.96 -1.83 0.15 0.00 -0.45 0.00 0.00 34.95 31.85 1ka8 s ARG 31 CO 0.39 -1.84 0.26 1.21 -0.68 0.00 0.00 175.30 174.65 1ka8 s ASN 32 N -2.08 2.37 0.53 0.23 3.84 -1.26 -5.01 114.94 113.57 1ka8 s ASN 32 Ca 0.74 -2.10 0.21 0.00 0.21 0.00 0.00 52.86 51.92 1ka8 s ASN 32 Cb -0.29 -0.14 1.37 0.00 -0.55 0.00 0.00 41.25 41.65 1ka8 s ASN 32 CO 0.46 -0.28 2.10 1.88 -2.79 0.00 0.00 177.10 178.46 1ka8 h TYR 33 N 6.91 0.00 0.00 0.43 -1.99 -1.87 -0.78 116.97 119.67 1ka8 h TYR 33 Ca 0.07 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.70 1ka8 h TYR 33 Cb 0.99 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.70 1ka8 h TYR 33 CO 0.40 0.00 -0.85 0.00 -0.00 0.00 0.00 178.16 177.71 1ka8 h ARG 34 N 0.00 0.00 0.05 4.88 3.08 -1.96 -3.33 114.38 117.10 1ka8 h ARG 34 Ca 0.09 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.77 1ka8 h ARG 34 Cb 0.39 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 1ka8 h ARG 34 CO -0.00 0.29 -2.21 1.17 -1.07 0.00 0.00 179.97 178.15 1ka8 n LYS 35 N -3.00 0.69 -3.83 0.04 4.81 -0.86 -4.87 118.16 111.13 1ka8 n LYS 35 Ca -0.02 0.23 -0.36 0.00 -0.87 0.00 0.00 58.31 57.29 1ka8 n LYS 35 Cb 0.72 -1.61 -0.12 0.00 0.02 0.00 0.00 35.03 34.04 1ka8 n LYS 35 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1ka8 s TYR 36 N -2.53 3.13 0.19 5.64 1.51 -0.36 -1.03 117.35 123.90 1ka8 s TYR 36 Ca -0.30 -0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 55.38 1ka8 s TYR 36 Cb 0.08 -2.20 0.18 0.00 -0.11 0.00 0.00 41.96 39.91 1ka8 s TYR 36 CO 0.66 -0.22 1.74 1.25 -1.11 0.00 0.00 175.55 177.87 1ka8 h LEU 37 N 7.85 0.14 -1.18 -1.29 6.46 -0.50 0.54 115.31 127.32 1ka8 h LEU 37 Ca -0.37 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.41 1ka8 h LEU 37 Cb 1.18 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.15 1ka8 h LEU 37 CO 0.60 0.10 0.05 0.22 -0.62 0.00 0.00 178.44 178.80 1ka8 h TYR 38 N 0.32 0.64 -0.25 1.25 3.20 -1.87 0.23 116.97 120.49 1ka8 h TYR 38 Ca 0.24 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1ka8 h TYR 38 Cb 0.28 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1ka8 h TYR 38 CO -0.18 0.58 0.08 0.45 -1.64 0.00 0.00 178.16 177.46 1ka8 h HIS 39 N 0.60 0.40 -0.64 -3.82 3.86 -1.52 -0.44 115.15 113.59 1ka8 h HIS 39 Ca 0.13 -0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.36 1ka8 h HIS 39 Cb 0.30 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.60 1ka8 h HIS 39 CO 0.01 0.44 0.34 0.00 0.86 0.00 0.00 177.93 179.59 1ka8 h ALA 40 N 0.91 0.86 -0.04 2.45 0.00 -0.48 -1.02 119.26 121.95 1ka8 h ALA 40 Ca 0.08 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1ka8 h ALA 40 Cb 0.23 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1ka8 h ALA 40 CO -0.00 0.00 -0.23 -0.92 0.00 0.00 0.00 179.25 178.10 1ka8 h TYR 41 N 0.63 -0.61 -0.46 0.00 3.20 -0.28 -1.48 116.97 117.97 1ka8 h TYR 41 Ca 0.29 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.26 1ka8 h TYR 41 Cb 0.20 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 1ka8 h TYR 41 CO -0.09 -0.32 0.09 -0.07 -1.64 0.00 0.00 178.16 176.14 1ka8 h LEU 42 N -0.34 0.01 -0.58 2.82 3.38 -0.37 -1.31 115.31 118.92 1ka8 h LEU 42 Ca 0.07 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.21 1ka8 h LEU 42 Cb 0.44 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1ka8 h LEU 42 CO -0.24 0.03 0.20 0.00 0.09 0.00 0.00 178.44 178.53 1ka8 h ALA 43 N 1.36 0.73 0.83 1.53 0.00 -0.58 -0.85 119.26 122.27 1ka8 h ALA 43 Ca 0.23 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1ka8 h ALA 43 Cb 0.30 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ka8 h ALA 43 CO -0.30 -0.21 -0.40 -0.92 0.00 0.00 0.00 179.25 177.42 1ka8 h TYR 44 N 0.37 -1.04 -0.72 0.00 3.20 -0.47 0.10 116.97 118.41 1ka8 h TYR 44 Ca 0.29 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.26 1ka8 h TYR 44 Cb 0.36 0.34 -0.13 0.00 1.54 0.00 0.00 36.73 38.84 1ka8 h TYR 44 CO -0.18 -0.65 -0.35 0.52 -1.64 0.00 0.00 178.16 175.87 1ka8 h MET 45 N -1.16 -0.11 -0.38 1.82 2.86 -1.07 0.12 114.93 117.02 1ka8 h MET 45 Ca -0.11 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 1ka8 h MET 45 Cb 0.86 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1ka8 h MET 45 CO 0.19 -0.07 -0.12 1.49 1.06 0.00 0.00 176.91 179.45 1ka8 h GLU 46 N -0.11 0.68 0.00 1.72 4.22 -1.10 -0.72 114.58 119.26 1ka8 h GLU 46 Ca 0.27 -0.22 -0.01 0.00 0.08 0.00 0.00 59.36 59.49 1ka8 h GLU 46 Cb 0.57 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ka8 h GLU 46 CO -0.78 0.78 -0.03 0.00 -2.18 0.00 0.00 179.01 176.80 1ka8 h ALA 47 N 1.25 1.30 -0.43 2.92 0.00 0.16 -1.36 119.26 123.11 1ka8 h ALA 47 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ka8 h ALA 47 Cb 0.57 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ka8 h ALA 47 CO 0.04 0.03 0.03 0.09 0.00 0.00 0.00 179.25 179.44 1ka8 n ASN 48 N -3.55 4.60 -1.47 0.00 5.03 -0.05 -4.98 115.26 114.84 1ka8 n ASN 48 Ca -0.03 -3.05 -0.11 0.00 0.87 0.00 0.00 54.58 52.27 1ka8 n ASN 48 Cb 0.12 -0.62 0.01 0.00 -1.02 0.00 0.00 39.78 38.27 1ka8 n ASN 48 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ka8 n GLY 49 N -0.10 0.00 3.38 7.41 0.00 -0.51 -5.03 105.19 110.34 1ka8 n GLY 49 Ca 0.26 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1ka8 n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ka8 s TYR 50 N -2.72 2.94 -0.16 1.61 1.51 -0.53 -4.95 117.35 115.06 1ka8 s TYR 50 Ca 0.09 -0.66 0.21 0.00 -1.01 0.00 0.00 57.07 55.70 1ka8 s TYR 50 Cb -0.04 -2.00 -0.12 0.00 -0.11 0.00 0.00 41.96 39.69 1ka8 s TYR 50 CO 0.11 -0.31 0.82 0.54 -1.11 0.00 0.00 175.55 175.60 1ka8 n ARG 51 N 4.11 0.63 -2.98 -0.62 3.00 -1.26 -4.01 116.66 115.52 1ka8 n ARG 51 Ca -0.18 0.04 -0.44 0.00 -0.01 0.00 0.00 57.85 57.26 1ka8 n ARG 51 Cb 0.52 -1.73 -0.04 0.00 0.00 0.00 0.00 32.46 31.21 1ka8 n ARG 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ka8 s ASN 52 N -5.18 6.31 0.12 0.55 4.22 -1.26 -5.06 114.94 114.64 1ka8 s ASN 52 Ca -0.03 -1.47 0.08 0.00 -2.14 0.00 0.00 52.86 49.30 1ka8 s ASN 52 Cb 0.11 -2.36 -0.04 0.00 1.28 0.00 0.00 41.25 40.23 1ka8 s ASN 52 CO 0.83 -1.20 -0.14 0.68 -2.04 0.00 0.00 177.10 175.23 1ka8 s VAL 53 N 3.10 3.11 0.42 3.54 -7.23 -1.26 -5.10 120.40 116.97 1ka8 s VAL 53 Ca 0.21 -1.43 -0.26 0.00 -1.81 0.00 0.00 61.98 58.69 1ka8 s VAL 53 Cb -0.16 -2.46 -0.08 0.00 0.56 0.00 0.00 36.38 34.24 1ka8 s VAL 53 CO 0.03 0.08 1.29 -0.76 -0.31 0.00 0.00 175.10 175.43 1ka8 s LEU 54 N -2.27 4.18 0.90 1.32 1.43 -1.26 -4.99 118.68 118.00 1ka8 s LEU 54 Ca 0.20 2.62 -0.12 0.00 -1.03 0.00 0.00 54.13 55.81 1ka8 s LEU 54 Cb -0.11 -3.95 0.13 0.00 0.03 0.00 0.00 46.19 42.30 1ka8 s LEU 54 CO 0.12 -0.88 1.10 -0.94 0.23 0.00 0.00 176.35 175.98 1ka8 s SER 55 N -0.81 3.46 0.16 2.29 1.04 -1.26 -4.64 113.70 113.94 1ka8 s SER 55 Ca 0.58 1.37 -0.15 0.00 0.48 0.00 0.00 55.95 58.23 1ka8 s SER 55 Cb -0.37 -2.05 0.10 0.00 0.10 0.00 0.00 66.02 63.79 1ka8 s SER 55 CO 0.47 -2.63 1.75 0.25 0.98 0.00 0.00 173.24 174.06 1ka8 h LEU 56 N -1.55 0.14 0.08 2.42 5.85 -1.98 0.46 115.31 120.74 1ka8 h LEU 56 Ca -0.50 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1ka8 h LEU 56 Cb 1.29 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 1ka8 h LEU 56 CO 0.56 0.12 -0.30 0.50 -0.34 0.00 0.00 178.44 178.98 1ka8 h LYS 57 N 0.30 -0.47 0.14 1.25 3.64 -1.99 0.33 116.57 119.77 1ka8 h LYS 57 Ca 0.19 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1ka8 h LYS 57 Cb 0.18 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1ka8 h LYS 57 CO -0.20 -0.31 -0.08 0.52 -2.27 0.00 0.00 179.45 177.12 1ka8 h MET 58 N -0.49 -0.19 -0.44 1.90 2.86 -1.81 -2.13 114.93 114.63 1ka8 h MET 58 Ca 0.04 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.78 1ka8 h MET 58 Cb 0.54 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.17 1ka8 h MET 58 CO -0.20 -0.13 -0.04 0.35 1.06 0.00 0.00 176.91 177.95 1ka8 h PHE 59 N -0.20 -0.10 -0.52 -0.22 3.57 0.14 -1.07 116.94 118.54 1ka8 h PHE 59 Ca -0.02 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1ka8 h PHE 59 Cb 0.16 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 1ka8 h PHE 59 CO -0.08 -0.13 0.22 0.78 -2.23 0.00 0.00 178.31 176.87 1ka8 h GLY 60 N 0.07 0.71 1.73 2.40 0.00 -0.07 -0.25 103.07 107.67 1ka8 h GLY 60 Ca 0.22 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.29 1ka8 h GLY 60 CO -0.39 0.05 -0.43 0.17 0.00 0.00 0.00 176.54 175.94 1ka8 h LEU 61 N 0.43 0.32 -0.34 3.11 -0.00 -0.66 -3.10 115.31 115.07 1ka8 h LEU 61 Ca 0.24 -0.14 -0.13 0.00 -0.00 0.00 0.00 57.88 57.85 1ka8 h LEU 61 Cb 0.22 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1ka8 h LEU 61 CO -0.21 0.71 -0.31 1.23 -0.00 0.00 0.00 178.44 179.86 1ka8 h GLY 62 N 1.22 0.88 -0.39 0.17 0.00 -0.75 -3.36 103.07 100.84 1ka8 h GLY 62 Ca 0.02 -0.89 0.04 0.00 0.00 0.00 0.00 47.33 46.49 1ka8 h GLY 62 CO 0.07 0.80 -0.23 -0.10 0.00 0.00 0.00 176.54 177.08 1ka8 n LEU 63 N -4.18 -0.42 -0.32 3.11 7.94 -0.15 -0.59 117.00 122.39 1ka8 n LEU 63 Ca -0.03 1.07 0.09 0.00 -1.11 0.00 0.00 56.01 56.04 1ka8 n LEU 63 Cb 0.49 -0.28 0.26 0.00 0.53 0.00 0.00 43.42 44.43 1ka8 n LEU 63 CO 0.46 -0.76 1.15 1.55 -1.11 0.00 0.00 177.39 178.68 1ka8 h PRO 64 N 0.00 0.69 0.40 1.96 0.13 -1.72 -0.93 132.00 132.52 1ka8 h PRO 64 Ca 0.06 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 1ka8 h PRO 64 Cb 0.16 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1ka8 h PRO 64 CO -0.37 0.45 -0.19 0.28 -0.23 0.00 0.00 178.00 177.94 1ka8 h VAL 65 N 0.71 0.56 -0.30 1.56 2.07 -1.02 -2.23 116.25 117.60 1ka8 h VAL 65 Ca 0.51 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1ka8 h VAL 65 Cb 0.74 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1ka8 h VAL 65 CO -0.37 0.07 0.08 0.24 0.02 0.00 0.00 177.57 177.62 1ka8 h MET 66 N -0.80 0.43 -0.49 1.57 2.86 -1.07 -0.72 114.93 116.72 1ka8 h MET 66 Ca -0.06 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1ka8 h MET 66 Cb 0.54 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1ka8 h MET 66 CO 0.09 0.40 0.25 -0.07 1.06 0.00 0.00 176.91 178.64 1ka8 h LEU 67 N 0.43 0.62 -1.21 1.22 -0.00 -1.14 -1.60 115.31 113.63 1ka8 h LEU 67 Ca 0.10 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1ka8 h LEU 67 Cb 0.16 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1ka8 h LEU 67 CO -0.00 0.56 0.41 0.50 -0.00 0.00 0.00 178.44 179.90 1ka8 h LYS 68 N 0.64 0.96 -0.22 1.13 1.63 -0.65 0.97 116.57 121.03 1ka8 h LYS 68 Ca 0.17 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1ka8 h LYS 68 Cb 0.08 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 1ka8 h LYS 68 CO -0.02 0.68 0.15 0.93 -3.45 0.00 0.00 179.45 177.73 1ka8 h GLU 69 N 0.97 0.22 -0.16 1.90 5.08 -0.26 0.44 114.58 122.78 1ka8 h GLU 69 Ca 0.25 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1ka8 h GLU 69 Cb -0.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1ka8 h GLU 69 CO -0.05 0.15 0.00 0.66 -1.00 0.00 0.00 179.01 178.77 1ka8 n TYR 70 N -4.50 0.20 -2.11 4.33 4.02 0.15 -4.92 117.16 114.33 1ka8 n TYR 70 Ca 0.01 -0.10 -0.06 0.00 -0.01 0.00 0.00 57.90 57.74 1ka8 n TYR 70 Cb 0.13 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1ka8 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ka8 n GLY 71 N 1.14 0.12 3.58 2.72 0.00 0.16 -5.05 105.19 107.86 1ka8 n GLY 71 Ca 0.16 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 1ka8 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ka8 s LEU 72 N -1.80 3.00 -0.44 0.99 1.43 -0.14 -4.97 118.68 116.74 1ka8 s LEU 72 Ca 0.00 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 1ka8 s LEU 72 Cb 0.00 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.67 1ka8 s LEU 72 CO 0.00 0.07 0.32 0.20 0.23 0.00 0.00 176.35 177.17 1ka8 s ASN 73 N -3.07 5.80 0.38 2.29 0.02 -1.26 -3.47 114.94 115.62 1ka8 s ASN 73 Ca 0.27 -1.52 -0.27 0.00 -1.02 0.00 0.00 52.86 50.32 1ka8 s ASN 73 Cb -0.08 -2.05 -0.09 0.00 0.02 0.00 0.00 41.25 39.05 1ka8 s ASN 73 CO 0.16 -0.60 1.28 -0.47 0.02 0.00 0.00 177.10 177.49 1ka8 s TYR 74 N 1.48 2.95 -0.11 2.20 5.04 -1.26 -4.97 117.35 122.68 1ka8 s TYR 74 Ca 0.04 1.44 -0.04 0.00 -2.44 0.00 0.00 57.07 56.07 1ka8 s TYR 74 Cb -0.24 -3.62 0.06 0.00 0.35 0.00 0.00 41.96 38.51 1ka8 s TYR 74 CO 0.03 -1.85 0.19 -1.21 -1.34 0.00 0.00 175.55 171.37 1ka8 s GLU 75 N -2.09 0.07 0.50 4.97 0.41 -1.26 -5.05 118.70 116.25 1ka8 s GLU 75 Ca 0.54 0.55 0.05 0.00 -0.41 0.00 0.00 54.97 55.71 1ka8 s GLU 75 Cb -0.37 -0.35 0.00 0.00 -1.78 0.00 0.00 34.13 31.64 1ka8 s GLU 75 CO 0.48 -0.34 0.28 -1.59 -0.49 0.00 0.00 175.26 173.60 1ka8 s LYS 76 N 2.32 2.26 -0.29 1.61 -2.85 -1.26 -1.91 119.74 119.61 1ka8 s LYS 76 Ca 0.03 -2.01 -0.16 0.00 -1.00 0.00 0.00 55.97 52.83 1ka8 s LYS 76 Cb -0.12 -2.00 0.18 0.00 -2.06 0.00 0.00 37.83 33.82 1ka8 s LYS 76 CO -0.07 -0.43 1.11 0.50 0.10 0.00 0.00 175.35 176.57 1ka8 s ARG 77 N -4.12 0.22 0.27 1.78 3.52 -0.70 -4.96 118.95 114.97 1ka8 s ARG 77 Ca 0.32 0.38 -0.29 0.00 -0.13 0.00 0.00 55.73 56.01 1ka8 s ARG 77 Cb -0.00 0.05 -0.09 0.00 -1.56 0.00 0.00 34.95 33.34 1ka8 s ARG 77 CO 0.19 -0.05 1.03 -1.01 -0.81 0.00 0.00 175.30 174.66 1ka8 s HIS 78 N 1.18 3.72 0.24 5.12 3.76 -1.26 -0.74 115.29 127.30 1ka8 s HIS 78 Ca -0.08 1.78 -0.13 0.00 -0.15 0.00 0.00 55.06 56.48 1ka8 s HIS 78 Cb -0.03 -3.15 -0.00 0.00 1.11 0.00 0.00 32.58 30.51 1ka8 s HIS 78 CO -0.12 -0.15 0.46 0.95 -0.85 0.00 0.00 174.74 175.03 1ka8 s THR 79 N -1.20 0.01 0.20 1.30 -4.23 -1.09 -4.92 115.64 105.71 1ka8 s THR 79 Ca 0.44 -1.36 -0.11 0.00 -1.18 0.00 0.00 61.69 59.47 1ka8 s THR 79 Cb -0.29 -2.13 0.12 0.00 1.34 0.00 0.00 72.50 71.54 1ka8 s THR 79 CO 0.37 -0.03 1.75 0.50 -0.54 0.00 0.00 174.62 176.66 1ka8 h LYS 80 N 2.28 0.37 0.00 3.99 1.63 -2.03 -0.39 116.57 122.42 1ka8 h LYS 80 Ca -0.27 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1ka8 h LYS 80 Cb 1.25 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1ka8 h LYS 80 CO 0.37 0.25 0.00 1.04 -3.45 0.00 0.00 179.45 177.65 1ka8 n GLN 81 N -5.00 0.37 0.00 1.90 3.00 -1.26 -5.00 117.38 111.39 1ka8 n GLN 81 Ca 0.07 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1ka8 n GLN 81 Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.97 1ka8 n GLN 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ka8 n GLY 82 N 0.78 1.30 3.67 1.08 0.00 -0.16 -4.98 105.19 106.89 1ka8 n GLY 82 Ca 0.12 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 1ka8 n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ka8 s ILE 83 N -1.31 3.20 -0.07 -0.61 1.01 -1.26 -2.66 121.20 119.50 1ka8 s ILE 83 Ca 0.00 0.39 0.02 0.00 0.00 0.00 0.00 60.65 61.06 1ka8 s ILE 83 Cb 0.00 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 1ka8 s ILE 83 CO 0.00 -0.02 -0.10 -1.58 0.00 0.00 0.00 174.94 173.23 1ka8 s GLN 84 N 3.75 2.74 0.43 2.79 0.74 0.08 -1.63 119.66 128.55 1ka8 s GLN 84 Ca 0.79 -0.62 0.07 0.00 0.05 0.00 0.00 55.36 55.64 1ka8 s GLN 84 Cb -0.39 -2.52 0.07 0.00 1.10 0.00 0.00 33.01 31.27 1ka8 s GLN 84 CO 0.34 0.59 0.56 0.25 -0.55 0.00 0.00 175.29 176.48 1ka8 n THR 85 N 2.44 0.00 -1.65 -0.34 -2.24 0.20 -1.72 114.28 110.96 1ka8 n THR 85 Ca -0.18 -1.45 -0.15 0.00 -2.27 0.00 0.00 64.05 60.01 1ka8 n THR 85 Cb 0.53 -0.59 0.12 0.00 -2.10 0.00 0.00 70.33 68.29 1ka8 n THR 85 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ka8 n ASN 86 N -2.43 3.98 -4.44 3.42 6.94 -0.80 0.07 115.26 121.99 1ka8 n ASN 86 Ca 0.11 -3.79 -0.30 0.00 -0.02 0.00 0.00 54.58 50.57 1ka8 n ASN 86 Cb 0.45 -0.57 -0.13 0.00 -2.36 0.00 0.00 39.78 37.17 1ka8 n ASN 86 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1ka8 s LEU 87 N -3.46 2.52 0.04 -4.53 1.43 -1.26 0.12 118.68 113.54 1ka8 s LEU 87 Ca 0.49 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1ka8 s LEU 87 Cb 0.42 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1ka8 s LEU 87 CO 0.00 0.23 -0.01 -0.89 0.23 0.00 0.00 176.35 175.91 1ka8 s THR 88 N -0.98 0.18 0.06 5.49 2.01 0.30 -0.44 115.64 122.26 1ka8 s THR 88 Ca 0.15 -1.45 -0.30 0.00 0.31 0.00 0.00 61.69 60.39 1ka8 s THR 88 Cb -0.10 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 1ka8 s THR 88 CO 0.06 -0.80 1.10 -0.76 -0.69 0.00 0.00 174.62 173.53 1ka8 s LEU 89 N -2.40 4.39 0.94 4.42 1.43 -1.26 -0.33 118.68 125.87 1ka8 s LEU 89 Ca -0.01 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 54.87 1ka8 s LEU 89 Cb 0.02 -3.58 0.16 0.00 0.03 0.00 0.00 46.19 42.81 1ka8 s LEU 89 CO -0.07 -0.35 1.09 -0.54 0.23 0.00 0.00 176.35 176.71 1ka8 s LYS 90 N 0.80 0.88 0.21 1.70 1.02 0.35 -4.87 119.74 119.82 1ka8 s LYS 90 Ca 0.55 0.84 -0.08 0.00 0.02 0.00 0.00 55.97 57.29 1ka8 s LYS 90 Cb -0.26 -1.76 0.14 0.00 -0.52 0.00 0.00 37.83 35.43 1ka8 s LYS 90 CO 0.30 -2.51 1.76 0.93 -0.92 0.00 0.00 175.35 174.91 1ka8 h GLU 91 N -1.74 1.17 -0.80 1.68 3.07 -1.96 -2.56 114.58 113.44 1ka8 h GLU 91 Ca -0.51 -0.23 0.23 0.00 -0.50 0.00 0.00 59.36 58.35 1ka8 h GLU 91 Cb 1.29 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.99 1ka8 h GLU 91 CO 0.53 0.97 0.71 1.05 -1.40 0.00 0.00 179.01 180.87 1ka8 h GLU 92 N 1.13 0.00 -0.44 2.33 9.09 -1.95 0.25 114.58 124.98 1ka8 h GLU 92 Ca 0.25 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.70 1ka8 h GLU 92 Cb 0.26 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.32 1ka8 h GLU 92 CO -0.02 0.00 0.22 0.77 0.05 0.00 0.00 179.01 180.03 1ka8 h SER 93 N 0.00 0.31 -0.71 3.06 0.02 -1.79 -1.34 113.55 113.10 1ka8 h SER 93 Ca 0.38 0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.50 1ka8 h SER 93 Cb 1.79 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 64.20 1ka8 h SER 93 CO -0.00 0.22 0.21 1.88 -1.14 0.00 0.00 176.83 178.00 1ka8 h TYR 94 N 0.44 0.35 0.07 3.45 0.99 -0.67 -2.01 116.97 119.59 1ka8 h TYR 94 Ca 0.19 0.04 -0.29 0.00 2.00 0.00 0.00 58.73 60.67 1ka8 h TYR 94 Cb 0.10 -0.05 -0.02 0.00 1.00 0.00 0.00 36.73 37.77 1ka8 h TYR 94 CO -0.10 -0.02 -1.49 0.78 -0.00 0.00 0.00 178.16 177.32 1ka8 h GLY 95 N 0.33 0.17 0.48 3.88 0.00 -1.62 -3.39 103.07 102.92 1ka8 h GLY 95 Ca 0.39 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1ka8 h GLY 95 CO -0.44 0.38 -0.23 -0.55 0.00 0.00 0.00 176.54 175.70 1ka8 h ASP 96 N 0.04 -0.54 0.00 0.19 5.19 -0.88 -3.45 116.42 116.97 1ka8 h ASP 96 Ca -0.22 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1ka8 h ASP 96 Cb 1.97 0.14 0.00 0.00 0.18 0.00 0.00 39.33 41.62 1ka8 h ASP 96 CO 0.13 -0.23 -0.24 -2.67 -3.12 0.00 0.00 179.24 173.12 1ka8 n TRP 97 N -4.60 0.00 -1.67 4.55 4.27 -0.81 -5.07 117.44 114.11 1ka8 n TRP 97 Ca -0.08 0.00 -0.54 0.00 -3.89 0.00 0.00 57.50 52.99 1ka8 n TRP 97 Cb 0.25 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.14 1ka8 n TRP 97 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 1ka8 n LEU 98 N -0.63 2.47 -4.66 5.67 7.94 -0.91 -4.86 117.00 122.03 1ka8 n LEU 98 Ca 0.00 1.07 -0.40 0.00 -1.11 0.00 0.00 56.01 55.56 1ka8 n LEU 98 Cb 0.06 -1.22 0.02 0.00 0.53 0.00 0.00 43.42 42.82 1ka8 n LEU 98 CO 0.00 -0.49 0.72 -2.65 -1.11 0.00 0.00 177.39 173.86 1ka8 n PRO 99 N 4.78 1.50 0.00 1.96 -0.02 -1.26 -4.87 135.00 137.09 1ka8 n PRO 99 Ca 0.23 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 1ka8 n PRO 99 Cb 0.19 -2.24 0.18 0.00 -0.02 0.00 0.00 33.50 31.61 1ka8 n PRO 99 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11